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PubMed code 25255283

Compile data set for download or QSAR
Found 88 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059171
PNG
(CHEMBL3393296)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C22H26N4O3S/c1-5-9-21-19(15-23-26(21)17-10-7-6-8-11-17)22(27)24-20-14-18(13-12-16(20)2)30(28,29)25(3)4/h6-8,10-15H,5,9H2,1-4H3,(H,24,27)
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14n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46-400) as substrate


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418818
PNG
(CHEMBL1796293)
Show SMILES O=C(NCc1ccncc1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C20H15N3O2/c21-13-17-3-1-2-4-19(17)25-18-7-5-16(6-8-18)20(24)23-14-15-9-11-22-12-10-15/h1-12H,14H2,(H,23,24)
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290n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46-400) as substrate


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059175
PNG
(CHEMBL3393298)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)C#N
Show InChI InChI=1S/C21H20N4O/c1-3-7-20-18(14-23-25(20)17-8-5-4-6-9-17)21(26)24-19-12-16(13-22)11-10-15(19)2/h4-6,8-12,14H,3,7H2,1-2H3,(H,24,26)
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n/an/a 15n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059180
PNG
(CHEMBL3393299)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(O)ccc1C
Show InChI InChI=1S/C20H21N3O2/c1-3-7-19-17(13-21-23(19)15-8-5-4-6-9-15)20(25)22-18-12-16(24)11-10-14(18)2/h4-6,8-13,24H,3,7H2,1-2H3,(H,22,25)
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n/an/a<46n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059180
PNG
(CHEMBL3393299)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(O)ccc1C
Show InChI InChI=1S/C20H21N3O2/c1-3-7-19-17(13-21-23(19)15-8-5-4-6-9-15)20(25)22-18-12-16(24)11-10-14(18)2/h4-6,8-13,24H,3,7H2,1-2H3,(H,22,25)
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n/an/a<46n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059187
PNG
(CHEMBL3393306)
Show SMILES CCCc1c(cnn1Cc1ccccc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C23H28N4O3S/c1-5-9-22-20(15-24-27(22)16-18-10-7-6-8-11-18)23(28)25-21-14-19(13-12-17(21)2)31(29,30)26(3)4/h6-8,10-15H,5,9,16H2,1-4H3,(H,25,28)
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n/an/a 53n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059171
PNG
(CHEMBL3393296)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C22H26N4O3S/c1-5-9-21-19(15-23-26(21)17-10-7-6-8-11-17)22(27)24-20-14-18(13-12-16(20)2)30(28,29)25(3)4/h6-8,10-15H,5,9H2,1-4H3,(H,24,27)
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n/an/a 61n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059188
PNG
(CHEMBL3393307)
Show SMILES CCCc1c(cnn1CC(C)C)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C20H30N4O3S/c1-7-8-19-17(12-21-24(19)13-14(2)3)20(25)22-18-11-16(10-9-15(18)4)28(26,27)23(5)6/h9-12,14H,7-8,13H2,1-6H3,(H,22,25)
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n/an/a 76n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059172
PNG
(CHEMBL3393303)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)C(O)=O
Show InChI InChI=1S/C21H21N3O3/c1-3-7-19-17(13-22-24(19)16-8-5-4-6-9-16)20(25)23-18-12-15(21(26)27)11-10-14(18)2/h4-6,8-13H,3,7H2,1-2H3,(H,23,25)(H,26,27)
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n/an/a 86n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059181
PNG
(CHEMBL3393297)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(F)ccc1C
Show InChI InChI=1S/C20H20FN3O/c1-3-7-19-17(13-22-24(19)16-8-5-4-6-9-16)20(25)23-18-12-15(21)11-10-14(18)2/h4-6,8-13H,3,7H2,1-2H3,(H,23,25)
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n/an/a 110n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059177
PNG
(CHEMBL3393302)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)S(C)(=O)=O
Show InChI InChI=1S/C21H23N3O3S/c1-4-8-20-18(14-22-24(20)16-9-6-5-7-10-16)21(25)23-19-13-17(28(3,26)27)12-11-15(19)2/h5-7,9-14H,4,8H2,1-3H3,(H,23,25)
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n/an/a 190n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059175
PNG
(CHEMBL3393298)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)C#N
Show InChI InChI=1S/C21H20N4O/c1-3-7-20-18(14-23-25(20)17-8-5-4-6-9-17)21(26)24-19-12-16(13-22)11-10-15(19)2/h4-6,8-12,14H,3,7H2,1-2H3,(H,24,26)
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n/an/a 210n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha in human TC28 cells assessed as inhibition of IL-1-induced PGE2 production incubated for 20 mins prior to IL-1 challenge meas...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059186
PNG
(CHEMBL3393305)
Show SMILES CCCc1c(cnn1-c1cccnc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C21H25N5O3S/c1-5-7-20-18(14-23-26(20)16-8-6-11-22-13-16)21(27)24-19-12-17(10-9-15(19)2)30(28,29)25(3)4/h6,8-14H,5,7H2,1-4H3,(H,24,27)
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n/an/a 270n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059176
PNG
(CHEMBL3393304)
Show SMILES CCCc1c(cnn1-c1ccc(Cl)cc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C22H25ClN4O3S/c1-5-6-21-19(14-24-27(21)17-10-8-16(23)9-11-17)22(28)25-20-13-18(12-7-15(20)2)31(29,30)26(3)4/h7-14H,5-6H2,1-4H3,(H,25,28)
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n/an/a 390n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059173
PNG
(CHEMBL3393294)
Show SMILES O=C(NCc1ccccc1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C21H16N2O2/c22-14-18-8-4-5-9-20(18)25-19-12-10-17(11-13-19)21(24)23-15-16-6-2-1-3-7-16/h1-13H,15H2,(H,23,24)
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n/an/a 450n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059178
PNG
(CHEMBL3393301)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)C(=O)OC
Show InChI InChI=1S/C22H23N3O3/c1-4-8-20-18(14-23-25(20)17-9-6-5-7-10-17)21(26)24-19-13-16(22(27)28-3)12-11-15(19)2/h5-7,9-14H,4,8H2,1-3H3,(H,24,26)
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n/an/a 490n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059178
PNG
(CHEMBL3393301)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)C(=O)OC
Show InChI InChI=1S/C22H23N3O3/c1-4-8-20-18(14-23-25(20)17-9-6-5-7-10-17)21(26)24-19-13-16(22(27)28-3)12-11-15(19)2/h5-7,9-14H,4,8H2,1-3H3,(H,24,26)
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n/an/a 500n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059174
PNG
(CHEMBL3393295)
Show SMILES O=C(NCc1cccnc1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C20H15N3O2/c21-12-17-5-1-2-6-19(17)25-18-9-7-16(8-10-18)20(24)23-14-15-4-3-11-22-13-15/h1-11,13H,14H2,(H,23,24)
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n/an/a 560n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418818
PNG
(CHEMBL1796293)
Show SMILES O=C(NCc1ccncc1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C20H15N3O2/c21-13-17-3-1-2-4-19(17)25-18-7-5-16(6-8-18)20(24)23-14-15-9-11-22-12-10-15/h1-12H,14H2,(H,23,24)
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n/an/a 600n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059175
PNG
(CHEMBL3393298)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)C#N
Show InChI InChI=1S/C21H20N4O/c1-3-7-20-18(14-23-25(20)17-8-5-4-6-9-17)21(26)24-19-12-16(13-22)11-10-15(19)2/h4-6,8-12,14H,3,7H2,1-2H3,(H,24,26)
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n/an/a 890n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059171
PNG
(CHEMBL3393296)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C22H26N4O3S/c1-5-9-21-19(15-23-26(21)17-10-7-6-8-11-17)22(27)24-20-14-18(13-12-16(20)2)30(28,29)25(3)4/h6-8,10-15H,5,9H2,1-4H3,(H,24,27)
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n/an/a 970n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha in human TC28 cells assessed as inhibition of IL-1-induced PGE2 production incubated for 20 mins prior to IL-1 challenge meas...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50418826
PNG
(CHEMBL1607077)
Show SMILES O=C(NCc1ccncc1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H16N2O2/c22-19(21-14-15-10-12-20-13-11-15)16-6-8-18(9-7-16)23-17-4-2-1-3-5-17/h1-13H,14H2,(H,21,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM46421
PNG
(4-(4-methylphenoxy)-N-(4-pyridinylmethyl)benzeneca...)
Show SMILES Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C20H18N2O2/c1-15-2-6-18(7-3-15)24-19-8-4-17(5-9-19)20(23)22-14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50059184
PNG
(CHEMBL3393291)
Show SMILES Fc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C19H15FN2O2/c20-16-3-7-18(8-4-16)24-17-5-1-15(2-6-17)19(23)22-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50418818
PNG
(CHEMBL1796293)
Show SMILES O=C(NCc1ccncc1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C20H15N3O2/c21-13-17-3-1-2-4-19(17)25-18-7-5-16(6-8-18)20(24)23-14-15-9-11-22-12-10-15/h1-12H,14H2,(H,23,24)
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n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50059185
PNG
(CHEMBL3393290)
Show SMILES Clc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C19H15ClN2O2/c20-16-3-7-18(8-4-16)24-17-5-1-15(2-6-17)19(23)22-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059173
PNG
(CHEMBL3393294)
Show SMILES O=C(NCc1ccccc1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C21H16N2O2/c22-14-18-8-4-5-9-20(18)25-19-12-10-17(11-13-19)21(24)23-15-16-6-2-1-3-7-16/h1-13H,15H2,(H,23,24)
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n/an/a 1.40E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha in human TC28 cells assessed as inhibition of IL-1-induced PGE2 production incubated for 20 mins prior to IL-1 challenge meas...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059171
PNG
(CHEMBL3393296)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C22H26N4O3S/c1-5-9-21-19(15-23-26(21)17-10-7-6-8-11-17)22(27)24-20-14-18(13-12-16(20)2)30(28,29)25(3)4/h6-8,10-15H,5,9H2,1-4H3,(H,24,27)
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n/an/a 1.50E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha in human PBMC assessed as inhibition of LPS-induced TNF-alpha production incubated for 30 mins prior to LPS challenge measure...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059182
PNG
(CHEMBL3393293)
Show SMILES Clc1ccccc1Oc1ccc(cc1)C(=O)NCc1ccncc1
Show InChI InChI=1S/C19H15ClN2O2/c20-17-3-1-2-4-18(17)24-16-7-5-15(6-8-16)19(23)22-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23)
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n/an/a 1.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059182
PNG
(CHEMBL3393293)
Show SMILES Clc1ccccc1Oc1ccc(cc1)C(=O)NCc1ccncc1
Show InChI InChI=1S/C19H15ClN2O2/c20-17-3-1-2-4-18(17)24-16-7-5-15(6-8-16)19(23)22-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23)
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n/an/a 1.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059183
PNG
(CHEMBL3393292)
Show SMILES Cc1ccccc1Oc1ccc(cc1)C(=O)NCc1ccncc1
Show InChI InChI=1S/C20H18N2O2/c1-15-4-2-3-5-19(15)24-18-8-6-17(7-9-18)20(23)22-14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059184
PNG
(CHEMBL3393291)
Show SMILES Fc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C19H15FN2O2/c20-16-3-7-18(8-4-16)24-17-5-1-15(2-6-17)19(23)22-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23)
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n/an/a 2.10E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418826
PNG
(CHEMBL1607077)
Show SMILES O=C(NCc1ccncc1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H16N2O2/c22-19(21-14-15-10-12-20-13-11-15)16-6-8-18(9-7-16)23-17-4-2-1-3-5-17/h1-13H,14H2,(H,21,22)
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n/an/a 2.30E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059184
PNG
(CHEMBL3393291)
Show SMILES Fc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C19H15FN2O2/c20-16-3-7-18(8-4-16)24-17-5-1-15(2-6-17)19(23)22-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23)
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n/an/a 2.30E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059185
PNG
(CHEMBL3393290)
Show SMILES Clc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C19H15ClN2O2/c20-16-3-7-18(8-4-16)24-17-5-1-15(2-6-17)19(23)22-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23)
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n/an/a 2.40E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059181
PNG
(CHEMBL3393297)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(F)ccc1C
Show InChI InChI=1S/C20H20FN3O/c1-3-7-19-17(13-22-24(19)16-8-5-4-6-9-16)20(25)23-18-12-15(21)11-10-14(18)2/h4-6,8-13H,3,7H2,1-2H3,(H,23,25)
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n/an/a 2.50E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059170
PNG
(CHEMBL3393063)
Show SMILES O=C(NCc1ccncn1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C19H14N4O2/c20-11-15-3-1-2-4-18(15)25-17-7-5-14(6-8-17)19(24)22-12-16-9-10-21-13-23-16/h1-10,13H,12H2,(H,22,24)
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n/an/a 2.80E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418826
PNG
(CHEMBL1607077)
Show SMILES O=C(NCc1ccncc1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H16N2O2/c22-19(21-14-15-10-12-20-13-11-15)16-6-8-18(9-7-16)23-17-4-2-1-3-5-17/h1-13H,14H2,(H,21,22)
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n/an/a 4.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059172
PNG
(CHEMBL3393303)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)C(O)=O
Show InChI InChI=1S/C21H21N3O3/c1-3-7-19-17(13-22-24(19)16-8-5-4-6-9-16)20(25)23-18-12-15(21(26)27)11-10-14(18)2/h4-6,8-13H,3,7H2,1-2H3,(H,23,25)(H,26,27)
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n/an/a 4.20E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM46421
PNG
(4-(4-methylphenoxy)-N-(4-pyridinylmethyl)benzeneca...)
Show SMILES Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C20H18N2O2/c1-15-2-6-18(7-3-15)24-19-8-4-17(5-9-19)20(23)22-14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)
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n/an/a 4.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059174
PNG
(CHEMBL3393295)
Show SMILES O=C(NCc1cccnc1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C20H15N3O2/c21-12-17-5-1-2-6-19(17)25-18-9-7-16(8-10-18)20(24)23-14-15-4-3-11-22-13-15/h1-11,13H,14H2,(H,23,24)
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n/an/a 4.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha in human TC28 cells assessed as inhibition of IL-1-induced PGE2 production incubated for 20 mins prior to IL-1 challenge meas...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059188
PNG
(CHEMBL3393307)
Show SMILES CCCc1c(cnn1CC(C)C)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C20H30N4O3S/c1-7-8-19-17(12-21-24(19)13-14(2)3)20(25)22-18-11-16(10-9-15(18)4)28(26,27)23(5)6/h9-12,14H,7-8,13H2,1-6H3,(H,22,25)
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n/an/a 5.40E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418818
PNG
(CHEMBL1796293)
Show SMILES O=C(NCc1ccncc1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C20H15N3O2/c21-13-17-3-1-2-4-19(17)25-18-7-5-16(6-8-18)20(24)23-14-15-9-11-22-12-10-15/h1-12H,14H2,(H,23,24)
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n/an/a 5.40E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha in human PBMC assessed as inhibition of LPS-induced TNF-alpha production incubated for 30 mins prior to LPS challenge measure...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059183
PNG
(CHEMBL3393292)
Show SMILES Cc1ccccc1Oc1ccc(cc1)C(=O)NCc1ccncc1
Show InChI InChI=1S/C20H18N2O2/c1-15-4-2-3-5-19(15)24-18-8-6-17(7-9-18)20(23)22-14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)
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n/an/a 5.40E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059187
PNG
(CHEMBL3393306)
Show SMILES CCCc1c(cnn1Cc1ccccc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C23H28N4O3S/c1-5-9-22-20(15-24-27(22)16-18-10-7-6-8-11-18)23(28)25-21-14-19(13-12-17(21)2)31(29,30)26(3)4/h6-8,10-15H,5,9,16H2,1-4H3,(H,25,28)
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n/an/a 6.30E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059170
PNG
(CHEMBL3393063)
Show SMILES O=C(NCc1ccncn1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C19H14N4O2/c20-11-15-3-1-2-4-18(15)25-17-7-5-14(6-8-17)19(24)22-12-16-9-10-21-13-23-16/h1-10,13H,12H2,(H,22,24)
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n/an/a 7.10E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha in human TC28 cells assessed as inhibition of IL-1-induced PGE2 production incubated for 20 mins prior to IL-1 challenge meas...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059171
PNG
(CHEMBL3393296)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C22H26N4O3S/c1-5-9-21-19(15-23-26(21)17-10-7-6-8-11-17)22(27)24-20-14-18(13-12-16(20)2)30(28,29)25(3)4/h6-8,10-15H,5,9H2,1-4H3,(H,24,27)
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n/an/a 9.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059179
PNG
(CHEMBL3393300)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(OCc2ccccc2)ccc1C
Show InChI InChI=1S/C27H27N3O2/c1-3-10-26-24(18-28-30(26)22-13-8-5-9-14-22)27(31)29-25-17-23(16-15-20(25)2)32-19-21-11-6-4-7-12-21/h4-9,11-18H,3,10,19H2,1-2H3,(H,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059182
PNG
(CHEMBL3393293)
Show SMILES Clc1ccccc1Oc1ccc(cc1)C(=O)NCc1ccncc1
Show InChI InChI=1S/C19H15ClN2O2/c20-17-3-1-2-4-18(17)24-16-7-5-15(6-8-16)19(23)22-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059185
PNG
(CHEMBL3393290)
Show SMILES Clc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C19H15ClN2O2/c20-16-3-7-18(8-4-16)24-17-5-1-15(2-6-17)19(23)22-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059183
PNG
(CHEMBL3393292)
Show SMILES Cc1ccccc1Oc1ccc(cc1)C(=O)NCc1ccncc1
Show InChI InChI=1S/C20H18N2O2/c1-15-4-2-3-5-19(15)24-18-8-6-17(7-9-18)20(23)22-14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059173
PNG
(CHEMBL3393294)
Show SMILES O=C(NCc1ccccc1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C21H16N2O2/c22-14-18-8-4-5-9-20(18)25-19-12-10-17(11-13-19)21(24)23-15-16-6-2-1-3-7-16/h1-13H,15H2,(H,23,24)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059171
PNG
(CHEMBL3393296)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C22H26N4O3S/c1-5-9-21-19(15-23-26(21)17-10-7-6-8-11-17)22(27)24-20-14-18(13-12-16(20)2)30(28,29)25(3)4/h6-8,10-15H,5,9H2,1-4H3,(H,24,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059177
PNG
(CHEMBL3393302)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)S(C)(=O)=O
Show InChI InChI=1S/C21H23N3O3S/c1-4-8-20-18(14-22-24(20)16-9-6-5-7-10-16)21(25)23-19-13-17(28(3,26)27)12-11-15(19)2/h5-7,9-14H,4,8H2,1-3H3,(H,23,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059186
PNG
(CHEMBL3393305)
Show SMILES CCCc1c(cnn1-c1cccnc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C21H25N5O3S/c1-5-7-20-18(14-23-26(20)16-8-6-11-22-13-16)21(27)24-19-12-17(10-9-15(19)2)30(28,29)25(3)4/h6,8-14H,5,7H2,1-4H3,(H,24,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059187
PNG
(CHEMBL3393306)
Show SMILES CCCc1c(cnn1Cc1ccccc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C23H28N4O3S/c1-5-9-22-20(15-24-27(22)16-18-10-7-6-8-11-18)23(28)25-21-14-19(13-12-17(21)2)31(29,30)26(3)4/h6-8,10-15H,5,9,16H2,1-4H3,(H,25,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50059173
PNG
(CHEMBL3393294)
Show SMILES O=C(NCc1ccccc1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C21H16N2O2/c22-14-18-8-4-5-9-20(18)25-19-12-10-17(11-13-19)21(24)23-15-16-6-2-1-3-7-16/h1-13H,15H2,(H,23,24)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418826
PNG
(CHEMBL1607077)
Show SMILES O=C(NCc1ccncc1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H16N2O2/c22-19(21-14-15-10-12-20-13-11-15)16-6-8-18(9-7-16)23-17-4-2-1-3-5-17/h1-13H,14H2,(H,21,22)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059184
PNG
(CHEMBL3393291)
Show SMILES Fc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C19H15FN2O2/c20-16-3-7-18(8-4-16)24-17-5-1-15(2-6-17)19(23)22-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059181
PNG
(CHEMBL3393297)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(F)ccc1C
Show InChI InChI=1S/C20H20FN3O/c1-3-7-19-17(13-22-24(19)16-8-5-4-6-9-16)20(25)23-18-12-15(21)11-10-14(18)2/h4-6,8-13H,3,7H2,1-2H3,(H,23,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059180
PNG
(CHEMBL3393299)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(O)ccc1C
Show InChI InChI=1S/C20H21N3O2/c1-3-7-19-17(13-21-23(19)15-8-5-4-6-9-15)20(25)22-18-12-16(24)11-10-14(18)2/h4-6,8-13,24H,3,7H2,1-2H3,(H,22,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059172
PNG
(CHEMBL3393303)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)C(O)=O
Show InChI InChI=1S/C21H21N3O3/c1-3-7-19-17(13-22-24(19)16-8-5-4-6-9-16)20(25)23-18-12-15(21(26)27)11-10-14(18)2/h4-6,8-13H,3,7H2,1-2H3,(H,23,25)(H,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059188
PNG
(CHEMBL3393307)
Show SMILES CCCc1c(cnn1CC(C)C)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C20H30N4O3S/c1-7-8-19-17(12-21-24(19)13-14(2)3)20(25)22-18-11-16(10-9-15(18)4)28(26,27)23(5)6/h9-12,14H,7-8,13H2,1-6H3,(H,22,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059185
PNG
(CHEMBL3393290)
Show SMILES Clc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C19H15ClN2O2/c20-16-3-7-18(8-4-16)24-17-5-1-15(2-6-17)19(23)22-13-14-9-11-21-12-10-14/h1-12H,13H2,(H,22,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059174
PNG
(CHEMBL3393295)
Show SMILES O=C(NCc1cccnc1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C20H15N3O2/c21-12-17-5-1-2-6-19(17)25-18-9-7-16(8-10-18)20(24)23-14-15-4-3-11-22-13-15/h1-11,13H,14H2,(H,23,24)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059176
PNG
(CHEMBL3393304)
Show SMILES CCCc1c(cnn1-c1ccc(Cl)cc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C22H25ClN4O3S/c1-5-6-21-19(14-24-27(21)17-10-8-16(23)9-11-17)22(28)25-20-13-18(12-7-15(20)2)31(29,30)26(3)4/h7-14H,5-6H2,1-4H3,(H,25,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM46421
PNG
(4-(4-methylphenoxy)-N-(4-pyridinylmethyl)benzeneca...)
Show SMILES Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C20H18N2O2/c1-15-2-6-18(7-3-15)24-19-8-4-17(5-9-19)20(23)22-14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059178
PNG
(CHEMBL3393301)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)C(=O)OC
Show InChI InChI=1S/C22H23N3O3/c1-4-8-20-18(14-23-25(20)17-9-6-5-7-10-17)21(26)24-19-13-16(22(27)28-3)12-11-15(19)2/h5-7,9-14H,4,8H2,1-3H3,(H,24,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50059170
PNG
(CHEMBL3393063)
Show SMILES O=C(NCc1ccncn1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C19H14N4O2/c20-11-15-3-1-2-4-18(15)25-17-7-5-14(6-8-17)19(24)22-12-16-9-10-21-13-23-16/h1-10,13H,12H2,(H,22,24)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059175
PNG
(CHEMBL3393298)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)C#N
Show InChI InChI=1S/C21H20N4O/c1-3-7-20-18(14-23-25(20)17-8-5-4-6-9-17)21(26)24-19-12-16(13-22)11-10-15(19)2/h4-6,8-12,14H,3,7H2,1-2H3,(H,24,26)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50059174
PNG
(CHEMBL3393295)
Show SMILES O=C(NCc1cccnc1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C20H15N3O2/c21-12-17-5-1-2-6-19(17)25-18-9-7-16(8-10-18)20(24)23-14-15-4-3-11-22-13-15/h1-11,13H,14H2,(H,23,24)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418818
PNG
(CHEMBL1796293)
Show SMILES O=C(NCc1ccncc1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C20H15N3O2/c21-13-17-3-1-2-4-19(17)25-18-7-5-16(6-8-18)20(24)23-14-15-9-11-22-12-10-15/h1-12H,14H2,(H,23,24)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059170
PNG
(CHEMBL3393063)
Show SMILES O=C(NCc1ccncn1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C19H14N4O2/c20-11-15-3-1-2-4-18(15)25-17-7-5-14(6-8-17)19(24)22-12-16-9-10-21-13-23-16/h1-10,13H,12H2,(H,22,24)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059174
PNG
(CHEMBL3393295)
Show SMILES O=C(NCc1cccnc1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C20H15N3O2/c21-12-17-5-1-2-6-19(17)25-18-9-7-16(8-10-18)20(24)23-14-15-4-3-11-22-13-15/h1-11,13H,14H2,(H,23,24)
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n/an/a 1.50E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059176
PNG
(CHEMBL3393304)
Show SMILES CCCc1c(cnn1-c1ccc(Cl)cc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C22H25ClN4O3S/c1-5-6-21-19(14-24-27(21)17-10-8-16(23)9-11-17)22(28)25-20-13-18(12-7-15(20)2)31(29,30)26(3)4/h7-14H,5-6H2,1-4H3,(H,25,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418818
PNG
(CHEMBL1796293)
Show SMILES O=C(NCc1ccncc1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C20H15N3O2/c21-13-17-3-1-2-4-19(17)25-18-7-5-16(6-8-18)20(24)23-14-15-9-11-22-12-10-15/h1-12H,14H2,(H,23,24)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059172
PNG
(CHEMBL3393303)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)C(O)=O
Show InChI InChI=1S/C21H21N3O3/c1-3-7-19-17(13-22-24(19)16-8-5-4-6-9-16)20(25)23-18-12-15(21(26)27)11-10-14(18)2/h4-6,8-13H,3,7H2,1-2H3,(H,23,25)(H,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha in human PBMC assessed as inhibition of LPS-induced TNF-alpha production incubated for 30 mins prior to LPS challenge measure...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM46421
PNG
(4-(4-methylphenoxy)-N-(4-pyridinylmethyl)benzeneca...)
Show SMILES Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Show InChI InChI=1S/C20H18N2O2/c1-15-2-6-18(7-3-15)24-19-8-4-17(5-9-19)20(23)22-14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)
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n/an/a 2.20E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059177
PNG
(CHEMBL3393302)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)S(C)(=O)=O
Show InChI InChI=1S/C21H23N3O3S/c1-4-8-20-18(14-22-24(20)16-9-6-5-7-10-16)21(25)23-19-13-17(28(3,26)27)12-11-15(19)2/h5-7,9-14H,4,8H2,1-3H3,(H,23,25)
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n/an/a 2.30E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418818
PNG
(CHEMBL1796293)
Show SMILES O=C(NCc1ccncc1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C20H15N3O2/c21-13-17-3-1-2-4-19(17)25-18-7-5-16(6-8-18)20(24)23-14-15-9-11-22-12-10-15/h1-12H,14H2,(H,23,24)
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n/an/a 2.50E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha in human TC28 cells assessed as inhibition of IL-1-induced PGE2 production incubated for 20 mins prior to IL-1 challenge meas...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059186
PNG
(CHEMBL3393305)
Show SMILES CCCc1c(cnn1-c1cccnc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C21H25N5O3S/c1-5-7-20-18(14-23-26(20)16-8-6-11-22-13-16)21(27)24-19-12-17(10-9-15(19)2)30(28,29)25(3)4/h6,8-14H,5,7H2,1-4H3,(H,24,27)
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059179
PNG
(CHEMBL3393300)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(OCc2ccccc2)ccc1C
Show InChI InChI=1S/C27H27N3O2/c1-3-10-26-24(18-28-30(26)22-13-8-5-9-14-22)27(31)29-25-17-23(16-15-20(25)2)32-19-21-11-6-4-7-12-21/h4-9,11-18H,3,10,19H2,1-2H3,(H,29,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059170
PNG
(CHEMBL3393063)
Show SMILES O=C(NCc1ccncn1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C19H14N4O2/c20-11-15-3-1-2-4-18(15)25-17-7-5-14(6-8-17)19(24)22-12-16-9-10-21-13-23-16/h1-10,13H,12H2,(H,22,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059173
PNG
(CHEMBL3393294)
Show SMILES O=C(NCc1ccccc1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C21H16N2O2/c22-14-18-8-4-5-9-20(18)25-19-12-10-17(11-13-19)21(24)23-15-16-6-2-1-3-7-16/h1-13H,15H2,(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059179
PNG
(CHEMBL3393300)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(OCc2ccccc2)ccc1C
Show InChI InChI=1S/C27H27N3O2/c1-3-10-26-24(18-28-30(26)22-13-8-5-9-14-22)27(31)29-25-17-23(16-15-20(25)2)32-19-21-11-6-4-7-12-21/h4-9,11-18H,3,10,19H2,1-2H3,(H,29,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059171
PNG
(CHEMBL3393296)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C22H26N4O3S/c1-5-9-21-19(15-23-26(21)17-10-7-6-8-11-17)22(27)24-20-14-18(13-12-16(20)2)30(28,29)25(3)4/h6-8,10-15H,5,9H2,1-4H3,(H,24,27)
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n/an/an/a 1.55E+4n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 1-[7-[3-[4-(aminomethyl)-1-piperidyl]propoxy]-6-methoxy-quinazolin-4-yl]-3-(2-chloro-6-methylphenyl)urea from GST-tagged phosphorylat...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418818
PNG
(CHEMBL1796293)
Show SMILES O=C(NCc1ccncc1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C20H15N3O2/c21-13-17-3-1-2-4-19(17)25-18-7-5-16(6-8-18)20(24)23-14-15-9-11-22-12-10-15/h1-12H,14H2,(H,23,24)
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n/an/an/a>2.00E+4n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 1-[7-[3-[4-(aminomethyl)-1-piperidyl]propoxy]-6-methoxy-quinazolin-4-yl]-3-(2-chloro-6-methylphenyl)urea from GST-tagged phosphorylat...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059171
PNG
(CHEMBL3393296)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C22H26N4O3S/c1-5-9-21-19(15-23-26(21)17-10-7-6-8-11-17)22(27)24-20-14-18(13-12-16(20)2)30(28,29)25(3)4/h6-8,10-15H,5,9H2,1-4H3,(H,24,27)
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n/an/an/a 1.54E+4n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 1-[7-[3-[4-(aminomethyl)-1-piperidyl]propoxy]-6-methoxy-quinazolin-4-yl]-3-(2-chloro-6-methylphenyl)urea from GST-tagged phosphorylat...


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%